4-[(E)-[2-[[4-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[2-[[4-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[2-[[4-(2-ethoxy-2-oxo-ethyl)thiazol-2-yl]amino]-4-oxo-thiazol-5-ylidene]methyl]benzoic acid CAS Name: 4-[(E)-[2-[[4-(2-ethoxy-2-oxoethyl)-2-thiazolyl]amino]-4-oxo-5-thiazolylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-4-oxo-1,3-thiazol-5-ylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[2-[[4-(2-ethoxy-2-keto-ethyl)thiazol-2-yl]amino]-4-keto-2-thiazolin-5-ylidene]methyl]benzoic acid Formula: C18H15N3O5S2 MolecularWeight: 417.4588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC2=NC(=O)C(=CC3=CC=C(C=C3)C(=O)O)S2

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC2=NC(=O)/C(=C\C3=CC=C(C=C3)C(=O)O)/S2

InChI

InChI=1S/C18H15N3O5S2/c1-2-26-14(22)8-12-9-27-17(19-12)21-18-20-15(23)13(28-18)7-10-3-5-11(6-4-10)16(24)25/h3-7,9H,2,8H2,1H3,(H,24,25)(H,19,20,21,23)/b13-7+